7,7-dimethyl-6-[4-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]phenyl]pyrimido[4,5-b][1,4]oxazin-4-amine

C22H26N8O — CID 58909548

IUPAC7,7-dimethyl-6-[4-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]phenyl]pyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCC(Cc3nn[nH]n3)CC2)cc1
InChIInChI=1S/C22H26N8O/c1-22(2)19(26-18-20(23)24-12-25-21(18)31-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17-27-29-30-28-17/h7-10,12-14H,3-6,11H2,1-2H3,(H2,23,24,25)(H,27,28,29,30)
InChIKeyGTDBUNVIFMFNEX-UHFFFAOYSA-N
MW418.51 g/mol
LogP3.38
Rot. Bonds4

About 7,7-dimethyl-6-[4-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]phenyl]pyrimido[4,5-b][1,4]oxazin-4-amine

7,7-dimethyl-6-[4-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]phenyl]pyrimido[4,5-b][1,4]oxazin-4-amine (PubChem CID 58909548) has the molecular formula C22H26N8O and a molecular weight of 418.51 g/mol. Its IUPAC name is 7,7-dimethyl-6-[4-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]phenyl]pyrimido[4,5-b][1,4]oxazin-4-amine.

Molecular Properties

Compound Name7,7-dimethyl-6-[4-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]phenyl]pyrimido[4,5-b][1,4]oxazin-4-amine
PubChem CID58909548
Molecular FormulaC22H26N8O
Molecular Weight418.51 g/mol
Exact Mass418.22
IUPAC Name7,7-dimethyl-6-[4-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]phenyl]pyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCC(Cc3nn[nH]n3)CC2)cc1
InChIInChI=1S/C22H26N8O/c1-22(2)19(26-18-20(23)24-12-25-21(18)31-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17-27-29-30-28-17/h7-10,12-14H,3-6,11H2,1-2H3,(H2,23,24,25)(H,27,28,29,30)
InChIKeyGTDBUNVIFMFNEX-UHFFFAOYSA-N
XLogP3.38
TPSA127.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7,7-dimethyl-6-[4-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]phenyl]pyrimido[4,5-b][1,4]oxazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6-[4-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]phenyl]pyrimido[4,5-b][1,4]oxazin-4-amine?
The IUPAC name of 7,7-dimethyl-6-[4-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]phenyl]pyrimido[4,5-b][1,4]oxazin-4-amine (CID 58909548) is 7,7-dimethyl-6-[4-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]phenyl]pyrimido[4,5-b][1,4]oxazin-4-amine.
What is the SMILES notation for 7,7-dimethyl-6-[4-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]phenyl]pyrimido[4,5-b][1,4]oxazin-4-amine?
The canonical SMILES for 7,7-dimethyl-6-[4-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]phenyl]pyrimido[4,5-b][1,4]oxazin-4-amine is CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCC(Cc3nn[nH]n3)CC2)cc1.
What is the InChIKey of 7,7-dimethyl-6-[4-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]phenyl]pyrimido[4,5-b][1,4]oxazin-4-amine?
The InChIKey is GTDBUNVIFMFNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O/c1-22(2)19(26-18-20(23)24-12-25-21(18)31-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17-27-29-30-28-17/h7-10,12-14H,3-6,11H2,1-2H3,(H2,23,24,25)(H,27,28,29,30).
What are the key properties of 7,7-dimethyl-6-[4-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]phenyl]pyrimido[4,5-b][1,4]oxazin-4-amine?
7,7-dimethyl-6-[4-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]phenyl]pyrimido[4,5-b][1,4]oxazin-4-amine has a molecular weight of 418.51 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6-[4-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]phenyl]pyrimido[4,5-b][1,4]oxazin-4-amine is sourced from PubChem (CID 58909548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).